removing dependency on win openmp:llvm #47
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| name: Molecular Plus | |
| on: | |
| push: | |
| branches: [ main ] | |
| tags: | |
| - "v*.*.*" # Trigger release on version tags | |
| pull_request: | |
| branches: [ main ] | |
| jobs: | |
| build_windows: | |
| runs-on: windows-latest | |
| outputs: | |
| VERSION: ${{ steps.build.outputs.VERSION }} | |
| steps: | |
| - uses: actions/checkout@v3 | |
| - name: Set up Python 3.10.6 | |
| uses: actions/setup-python@v3 | |
| with: | |
| python-version: 3.10.6 | |
| - name: Install dependencies | |
| run: | | |
| python -m pip install --upgrade pip | |
| pip install flake8 pytest cython | |
| - name: Lint with flake8 | |
| run: | | |
| flake8 . --count --exit-zero --select=E9,F63,F7,F82 --show-source --statistics | |
| flake8 . --count --exit-zero --max-complexity=10 --max-line-length=127 --statistics | |
| - name: Build with Cython | |
| id: build | |
| run: | | |
| $version = python pack_molecular.py | |
| echo "VERSION=${version}" >> $env:GITHUB_ENV | |
| echo "::set-output name=VERSION::${version}" | |
| - name: Upload windows zip | |
| uses: actions/upload-artifact@v3 | |
| with: | |
| name: molecular-plus_${{ env.VERSION }}_310_win | |
| path: ./molecular-plus_${{ env.VERSION }}_310_win.zip | |
| build_windows41: | |
| runs-on: windows-latest | |
| outputs: | |
| VERSION: ${{ steps.build.outputs.VERSION }} | |
| steps: | |
| - uses: actions/checkout@v3 | |
| - name: Set up Python 3.11.7 | |
| uses: actions/setup-python@v3 | |
| with: | |
| python-version: 3.11.7 | |
| - name: Install dependencies | |
| run: | | |
| python -m pip install --upgrade pip | |
| pip install flake8 pytest cython | |
| - name: Lint with flake8 | |
| run: | | |
| flake8 . --count --exit-zero --select=E9,F63,F7,F82 --show-source --statistics | |
| flake8 . --count --exit-zero --max-complexity=10 --max-line-length=127 --statistics | |
| - name: Build with Cython | |
| id: build | |
| run: | | |
| $version = python pack_molecular.py | |
| echo "VERSION=${version}" >> $env:GITHUB_ENV | |
| echo "::set-output name=VERSION::${version}" | |
| - name: Upload windows zip | |
| uses: actions/upload-artifact@v3 | |
| with: | |
| name: molecular-plus_${{ env.VERSION }}_311_win | |
| path: ./molecular-plus_${{ env.VERSION }}_311_win.zip | |
| build_linux: | |
| runs-on: ubuntu-22.04 | |
| outputs: | |
| VERSION: ${{ steps.build.outputs.VERSION }} | |
| steps: | |
| - uses: actions/checkout@v3 | |
| - name: Set up Python 3.10.12 | |
| uses: actions/setup-python@v3 | |
| with: | |
| python-version: 3.10.12 | |
| - name: Install dependencies | |
| run: | | |
| python -m pip install --upgrade pip | |
| pip install flake8 pytest cython | |
| - name: Lint with flake8 | |
| run: | | |
| flake8 . --count --exit-zero --select=E9,F63,F7,F82 --show-source --statistics | |
| flake8 . --count --exit-zero --max-complexity=10 --max-line-length=127 --statistics | |
| - name: Build with Cython | |
| id: build | |
| run: | | |
| version=$(python pack_molecular.py) | |
| echo "VERSION=${version}" >> $GITHUB_ENV | |
| echo "::set-output name=VERSION::${version}" | |
| - name: Upload linux zip | |
| uses: actions/upload-artifact@v3 | |
| with: | |
| name: molecular-plus_${{ env.VERSION }}_310_linux | |
| path: ./molecular-plus_${{ env.VERSION }}_310_linux.zip | |
| build_linux41: | |
| runs-on: ubuntu-22.04 | |
| outputs: | |
| VERSION: ${{ steps.build.outputs.VERSION }} | |
| steps: | |
| - uses: actions/checkout@v3 | |
| - name: Set up Python 3.11.7 | |
| uses: actions/setup-python@v3 | |
| with: | |
| python-version: 3.11.7 | |
| - name: Install dependencies | |
| run: | | |
| python -m pip install --upgrade pip | |
| pip install flake8 pytest cython | |
| - name: Lint with flake8 | |
| run: | | |
| flake8 . --count --exit-zero --select=E9,F63,F7,F82 --show-source --statistics | |
| flake8 . --count --exit-zero --max-complexity=10 --max-line-length=127 --statistics | |
| - name: Build with Cython | |
| id: build | |
| run: | | |
| version=$(python pack_molecular.py) | |
| echo "VERSION=${version}" >> $GITHUB_ENV | |
| echo "::set-output name=VERSION::${version}" | |
| - name: Upload linux zip | |
| uses: actions/upload-artifact@v3 | |
| with: | |
| name: molecular-plus_${{ env.VERSION }}_311_linux | |
| path: ./molecular-plus_${{ env.VERSION }}_311_linux.zip | |
| build_macos: | |
| runs-on: macos-13 | |
| outputs: | |
| VERSION: ${{ steps.build.outputs.VERSION }} | |
| steps: | |
| - uses: actions/checkout@v3 | |
| - name: Set up Python 3.10.12 | |
| uses: actions/setup-python@v3 | |
| with: | |
| python-version: 3.10.12 | |
| - name: Install dependencies | |
| run: | | |
| python -m pip install --upgrade pip | |
| pip install flake8 pytest cython | |
| - name: Lint with flake8 | |
| run: | | |
| flake8 . --count --exit-zero --select=E9,F63,F7,F82 --show-source --statistics | |
| flake8 . --count --exit-zero --max-complexity=10 --max-line-length=127 --statistics | |
| - name: Build with Cython | |
| id: build | |
| run: | | |
| version=$(python pack_molecular.py) | |
| echo "VERSION=${version}" >> $GITHUB_ENV | |
| echo "::set-output name=VERSION::${version}" | |
| - name: Upload mac zip | |
| uses: actions/upload-artifact@v3 | |
| with: | |
| name: molecular-plus_${{ env.VERSION }}_310_macos | |
| path: ./molecular-plus_${{ env.VERSION }}_310_macos.zip | |
| build_macos41: | |
| runs-on: macos-13 | |
| outputs: | |
| VERSION: ${{ steps.build.outputs.VERSION }} | |
| steps: | |
| - uses: actions/checkout@v3 | |
| - name: Set up Python 3.11.7 | |
| uses: actions/setup-python@v3 | |
| with: | |
| python-version: 3.11.7 | |
| - name: Install dependencies | |
| run: | | |
| python -m pip install --upgrade pip | |
| pip install flake8 pytest cython | |
| - name: Lint with flake8 | |
| run: | | |
| flake8 . --count --exit-zero --select=E9,F63,F7,F82 --show-source --statistics | |
| flake8 . --count --exit-zero --max-complexity=10 --max-line-length=127 --statistics | |
| - name: Build with Cython | |
| id: build | |
| run: | | |
| version=$(python pack_molecular.py) | |
| echo "VERSION=${version}" >> $GITHUB_ENV | |
| echo "::set-output name=VERSION::${version}" | |
| - name: Upload mac zip | |
| uses: actions/upload-artifact@v3 | |
| with: | |
| name: molecular-plus_${{ env.VERSION }}_311_macos | |
| path: ./molecular-plus_${{ env.VERSION }}_311_macos.zip | |
| release: | |
| runs-on: ubuntu-latest | |
| needs: | |
| - build_windows | |
| - build_windows41 | |
| - build_linux | |
| - build_linux41 | |
| - build_macos | |
| - build_macos41 | |
| if: startsWith(github.ref, 'refs/tags/v') | |
| steps: | |
| - name: Checkout code | |
| uses: actions/checkout@v3 | |
| - name: Debug version | |
| run: | |
| echo "Version ${{ needs.build_windows.outputs.VERSION }}" | |
| - name: Download artifacts for Windows 310 | |
| uses: actions/download-artifact@v3 | |
| with: | |
| name: molecular-plus_${{ needs.build_windows.outputs.VERSION }}_310_win | |
| - name: Download artifacts for Windows 311 | |
| uses: actions/download-artifact@v3 | |
| with: | |
| name: molecular-plus_${{ needs.build_windows41.outputs.VERSION }}_311_win | |
| - name: Download artifacts for Linux 310 | |
| uses: actions/download-artifact@v3 | |
| with: | |
| name: molecular-plus_${{ needs.build_linux.outputs.VERSION }}_310_linux | |
| - name: Download artifacts for Linux 311 | |
| uses: actions/download-artifact@v3 | |
| with: | |
| name: molecular-plus_${{ needs.build_linux41.outputs.VERSION }}_311_linux | |
| - name: Download artifacts for macOS 310 | |
| uses: actions/download-artifact@v3 | |
| with: | |
| name: molecular-plus_${{ needs.build_macos.outputs.VERSION }}_310_macos | |
| - name: Download artifacts for macOS 311 | |
| uses: actions/download-artifact@v3 | |
| with: | |
| name: molecular-plus_${{ needs.build_macos41.outputs.VERSION }}_311_macos | |
| - name: Create Release | |
| run: | | |
| tag=${GITHUB_REF#refs/tags/} | |
| gh release create "$tag" \ | |
| molecular-plus_${{ needs.build_windows.outputs.VERSION }}_310_win.zip \ | |
| molecular-plus_${{ needs.build_windows41.outputs.VERSION }}_311_win.zip \ | |
| molecular-plus_${{ needs.build_linux.outputs.VERSION }}_310_linux.zip \ | |
| molecular-plus_${{ needs.build_linux41.outputs.VERSION }}_311_linux.zip \ | |
| molecular-plus_${{ needs.build_macos.outputs.VERSION }}_310_macos.zip \ | |
| molecular-plus_${{ needs.build_macos41.outputs.VERSION }}_311_macos.zip \ | |
| --title "Release $tag" \ | |
| --notes "Release of version $tag" | |
| env: | |
| GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }} |